ethyl 4-bromo-1,3-dimethyl-1H-pyrazole-5-carboxylate
TL;DR: ethyl 4-bromo-1,3-dimethyl-1H-pyrazole-5-carboxylate (CAS 50920-64-4) is a chemical compound with molecular formula C8H11BrN2O2 and molecular weight 246.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-bromo-1,3-dimethylpyrazole-5-carboxylate
Also Known As: ethyl 4-bromo-1,3-dimethyl-1H-pyrazole-5-carboxylate, ethyl 4-bromo-1,3-dimethylpyrazole-5-carboxylate, ethyl 4-bromo-2,5-dimethylpyrazole-3-carboxylate, 1-ethyl-3-methyl-1h-pyrazole-5-carboxylic acid ethyl ester, 4-bromo-1,3-dimethyl-1h-pyrazole-5-carboxylic acid ethyl ester
| Molecular Formula | C8H11BrN2O2 |
|---|---|
| Molecular Weight | 246.00 g/mol |
| LogP | 1.66772 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 246.0004 |
| Heavy Atoms | 13 |
| Complexity | 333.13016 |
Chemical Identifiers
| CAS Number | 50920-64-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=NN1C)C)Br |
Product Overview
ethyl 4-bromo-1,3-dimethyl-1H-pyrazole-5-carboxylate (CAS 50920-64-4), with molecular formula C8H11BrN2O2 and molecular weight 246.00 g/mol. IUPAC: ethyl 4-bromo-1,3-dimethylpyrazole-5-carboxylate.
Chemical Property Profile of ethyl 4-bromo-1,3-dimethyl-1H-pyrazole-5-carboxylate
Property Insights of ethyl 4-bromo-1,3-dimethyl-1H-pyrazole-5-carboxylate
The XLogP value of 1.66772 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-bromo-1,3-dimethyl-1H-pyrazole-5-carboxylate. With a topological polar surface area (TPSA) of 44.12 Ų, ethyl 4-bromo-1,3-dimethyl-1H-pyrazole-5-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 4-bromo-1,3-dimethyl-1H-pyrazole-5-carboxylate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 4-bromo-1,3-dimethyl-1H-pyrazole-5-carboxylate?
The CAS number of ethyl 4-bromo-1,3-dimethyl-1H-pyrazole-5-carboxylate is 50920-64-4.
What is the molecular formula of ethyl 4-bromo-1,3-dimethyl-1H-pyrazole-5-carboxylate?
The molecular formula of ethyl 4-bromo-1,3-dimethyl-1H-pyrazole-5-carboxylate is C8H11BrN2O2.
What is the molecular weight of ethyl 4-bromo-1,3-dimethyl-1H-pyrazole-5-carboxylate?
The molecular weight of ethyl 4-bromo-1,3-dimethyl-1H-pyrazole-5-carboxylate is 246.00 g/mol.
Where can I buy ethyl 4-bromo-1,3-dimethyl-1H-pyrazole-5-carboxylate?
You can request a quote for ethyl 4-bromo-1,3-dimethyl-1H-pyrazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-bromo-1,3-dimethyl-1H-pyrazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-bromo-1,3-dimethyl-1H-pyrazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.